General Information of the Compound
| Compound ID |
CP0434314
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| Compound Name |
N-[(1R)-1-cyclohexyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-cyclohexyl-2-(cyclopropanecarbonylamino)acetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C50H60N6O4S2
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| Molecular Weight |
873.202
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| Canonical SMILES |
O=C(N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)C1CC1)C1CCCCC1)C1CC1
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| InChI |
InChI=1S/C50H60N6O4S2/c57-45(37-23-24-37)53-43(35-9-3-1-4-10-35)49(59)55-27-7-13-39(55)47-51-29-41(61-47)33-19-15-31(16-20-33)32-17-21-34(22-18-32)42-30-52-48(62-42)40-14-8-28-56(40)50(60)44(36-11-5-2-6-12-36)54-46(58)38-25-26-38/h15-22,29-30,35-40,43-44H,1-14,23-28H2,(H,53,57)(H,54,58)/t39-,40-,43+,44+/m0/s1
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| InChIKey |
OUFRFORUHGGTBA-XCIZVNRNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound